Browse entries in the PDBbind-CN Database

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Related entries of code: 4r3w
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2gz2RCSB PDB    PDBbind366aa, >2GZ2_1|Chains... *
3pwkRCSB PDB    PDBbind366aa, >3PWK_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1h1hRCSB PDB    PDBbindA2P
1hi3RCSB PDB    PDBbindA2P
1o0oRCSB PDB    PDBbindA2P
2gz2RCSB PDB    PDBbindA2P

Entry Information
PDB ID4r3w
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAspartate-semialdehyde dehydrogenase ASADH
Ligand NameA2P
EC.Number E.C.1.2.1.11
Resolution 1.91(Å)
Affinity (Kd/Ki/IC50)Ki=1.0mM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Acta Crystallogr.,Sect.D Vol. 70: pp. 3244-3252
Ligand Properties
Formula C10H17N5O10P2
Molecular Weight 429.217
Exact Mass 429.045
No. of atoms 44
No. of bonds 46
Polar Surface Area 266.1
LOGP Value -4.97      (Computed with XLOGP3)
-2.04      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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